REMARK  Name = BDB051850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.322   0.861  -2.066  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.189   0.047  -1.900  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.058   0.622  -1.631  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.195   2.005  -1.575  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -2.389   2.573  -1.356  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.086   2.825  -1.755  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        1.167   2.256  -2.000  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.227  -0.255  -1.478  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.885  -0.312  -0.251  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -4.091  -1.146  -0.185  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -4.937  -1.019   1.099  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1       -5.505   0.297   1.419  0.00  0.00    -0.314 NA
ATOM     13  H   LIG    1       -6.407   0.388   0.948  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -4.684   1.444   1.036  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1       -3.231   1.423   1.513  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -2.384   0.259   1.000  0.00  0.00    +0.109 C 
ATOM     17  O   LIG    1       -2.555  -0.925  -2.455  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1        2.680   0.256  -2.360  0.00  0.00    +0.090 C 
BRANCH  18  29
ATOM     19  C   LIG    1        4.186   1.585   2.888  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1        3.976   0.534   1.860  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        3.558   0.720   0.554  0.00  0.00    +0.095 A 
ATOM     22  N   LIG    1        3.483  -0.500  -0.082  0.00  0.00    -0.314 N 
ATOM     23  C   LIG    1        3.876  -1.471   0.821  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        3.917  -2.861   0.435  0.00  0.00    +0.273 A 
ATOM     25  N   LIG    1        3.544  -3.097  -0.878  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.571  -4.069  -1.162  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1        3.154  -2.121  -1.766  0.00  0.00    +0.108 A 
ATOM     28  O   LIG    1        4.249  -3.785   1.171  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1        3.104  -0.825  -1.395  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1        4.178  -0.861   2.021  0.00  0.00    +0.036 A 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 3